N-(3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl)acetamide

C9H14N2O2 — CID 45119267

IUPACN-(3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl)acetamide
SMILESC=C(NC(C)=O)C(=O)N1CCCC1
InChIInChI=1S/C9H14N2O2/c1-7(10-8(2)12)9(13)11-5-3-4-6-11/h1,3-6H2,2H3,(H,10,12)
InChIKeyNXUOLCCZGFFVKU-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.26
Rot. Bonds2

About N-(3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl)acetamide

N-(3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl)acetamide (PubChem CID 45119267) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-(3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl)acetamide
PubChem CID45119267
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl)acetamide
SMILESC=C(NC(C)=O)C(=O)N1CCCC1
InChIInChI=1S/C9H14N2O2/c1-7(10-8(2)12)9(13)11-5-3-4-6-11/h1,3-6H2,2H3,(H,10,12)
InChIKeyNXUOLCCZGFFVKU-UHFFFAOYSA-N
XLogP0.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl)acetamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl)acetamide (CID 45119267) is N-(3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl)acetamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl)acetamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl)acetamide is C=C(NC(C)=O)C(=O)N1CCCC1.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl)acetamide?
The InChIKey is NXUOLCCZGFFVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(10-8(2)12)9(13)11-5-3-4-6-11/h1,3-6H2,2H3,(H,10,12).
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl)acetamide?
N-(3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl)acetamide has a molecular weight of 182.22 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl)acetamide is sourced from PubChem (CID 45119267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).